Information card for entry 1502775

Structure parameters

• Formula: C32 H52 Hf N2
• Calculated formula: C32 H52 Hf N2
• SMILES: [Hf]1(N(C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)(C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)C
• Title of publication: Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection
• Authors of publication: Kuhlman, Roger L.; Klosin, Jerzy
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7903
• a: 9.1512 ± 0.0004 Å
• b: 17.1942 ± 0.0007 Å
• c: 21.2757 ± 0.0009 Å
• α: 105.558 ± 0.001°
• β: 97.417 ± 0.001°
• γ: 96.995 ± 0.001°
• Cell volume: 3154.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No